SCHEMBL21391161

SCHEMBL21391161

CC(O)(CC(=O)CCCCc1nc2cc(F)c(F)cc2n1C(C)(C)C)CC(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21391160 0.82 ACSS2 (0.38) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL18791986 0.74 ACSS2 (0.33)
SCHEMBL21391167 0.72 PPARG (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL21391173 0.72 ACSS2 (0.36) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL23132028 0.71 BRD4 (0.35) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL21390877 0.69 CSNK1D (0.36)
SCHEMBL23132027 0.67 ACSS2 (0.34) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL21390681 0.67 BRD4 (0.35) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL21391045 0.67 ACLY (0.30)
SCHEMBL21390936 0.65

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed